CAS 148930-55-6

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-

Description:

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, with the CAS number 148930-55-6, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl, acyl, and benzoyl moieties. This compound features a dodecahydro framework, indicating a saturated cyclic structure with multiple stereocenters, contributing to its potential chiral properties. The presence of acetoxy groups suggests reactivity that may facilitate esterification or other chemical transformations. Its benzoyloxy and triethylsilyl groups enhance its solubility and stability, making it suitable for various applications in organic synthesis and medicinal chemistry. The compound's stereochemistry, denoted by specific configurations at various carbon centers, is crucial for its biological activity and interaction with biological targets. Overall, this substance exemplifies the complexity often found in pharmaceutical compounds, where structural intricacies can significantly influence chemical behavior and therapeutic efficacy.

Formula: C₅₃H₆₅NO₁₄Si

InChI: InChI=1S/C53H65NO14Si/c1-10-69(11-2,12-3)68-38-28-39-52(30-63-39,67-33(6)56)44-46(66-48(60)36-26-20-15-21-27-36)53(62)29-37(31(4)40(50(53,7)8)43(64-32(5)55)45(58)51(38,44)9)65-49(61)42(57)41(34-22-16-13-17-23-34)54-47(59)35-24-18-14-19-25-35/h13-27,37-39,41-44,46,57,62H,10-12,28-30H2,1-9H3,(H,54,59)/t37-,38-,39+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1

InChI key: InChIKey=LKHIBBPOJARUFY-RGZLSWIJSA-N

SMILES: O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](O[Si](CC)(CC)CC)C[C@]1(OC2)[H])C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC([C@@H]([C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)O)=O)C4C)[H]

Synonyms:

• 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
• Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
• 7-(Triethylsilyl)taxol
• 7-O-(Triethylsilyl)taxol
• Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-

7-O-(Triethylsilyl)Paclitaxel

CAS: 148930-55-6

Aromatic heterocyclic compounds with oxygen hetero-atom(s) only, nesoi

Formula: C₅₃H₆₅NO₁₄Si

Color and Shape: White Powder

Molecular weight: 967.41743

Ref: 45-1A13190

Paclitaxel EP Impurity K (7-O-(Triethylsilyl) Paclitaxel)

CAS: 148930-55-6

Formula: C₅₃H₆₅NO₁₄Si

Color and Shape: White To Off-White Solid

Molecular weight: 968.18

Ref: 4Z-P-2819

7-O-(Triethylsilanyl)paclitaxel

CAS: 148930-55-6

Color and Shape: Neat

Ref: 86-MM1489.23

7-O-(Triethylsilyl) Paclitaxel

Controlled Product

CAS: 148930-55-6

Impurity Paclitaxel - Impurity K
Applications Protected Paclitaxel. Paclitaxel - Impurity K.
References Kerns, E., et al.: J. Nat. Products, 57, 1391 (1994), Golik, J., et al.: Bioorg. Med. Chem. Lett., 6, 1837 (1996),

Formula: C₅₃H₆₅NO₁₄Si

Color and Shape: Off-White

Molecular weight: 968.17

Ref: TR-T778055

7-O-(Triethylsilyl) paclitaxel

CAS: 148930-55-6

7-O-(Triethylsilyl) paclitaxel is a synthetic Taxol analog. It is manufactured by custom synthesis and purified by HPLC to be used as an analytical standard for the determination of natural Taxol impurities in drug products.

Formula: C₅₃H₆₅NO₁₄Si

Purity: Min. 95%

Molecular weight: 968.17 g/mol

Ref: 3D-IT28433

Paclitaxel EP Impurity K

CAS: 148930-55-6

Formula: C₅₃H₆₅NO₁₄Si

Molecular weight: 968.18

Ref: ST-EA-CP-P36185